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SCHEMBL8930815

SCHEMBL8930815

CC1(C)Oc2c(C=C[N+](=O)[O-])c3c(c(C(c4c5c(c(C=C[N+](=O)[O-])c6c4OC(C)(C)O6)OC(C)(C)O5)c4c5c(c(C=C[N+](=O)[O-])c6c4OC(C)(C)O6)OC(C)(C)O5)c2O1)OC(C)(C)O3

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ FBP1 P09467 5/20 0.32
▸ EGFR P00533 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3860754 0.56 VCP (1.00) VCPHSP90AA1FBP1EGFR
SCHEMBL3860750 0.56 VCP (1.00) VCPHSP90AA1FBP1EGFR
SCHEMBL5733864 0.55 HSP90AA1 (0.60) VCPHSP90AA1FBP1
SCHEMBL5733870 0.55 HSP90AA1 (0.60) VCPHSP90AA1FBP1
SCHEMBL8040118 0.55 HSP90AA1 (1.00) VCPHSP90AA1FBP1EGFR
SCHEMBL7414256 0.55 HSP90AA1 (1.00) VCPHSP90AA1FBP1EGFR
SCHEMBL11805779 0.54 HSP90AA1 (0.69) VCPHSP90AA1FBP1EGFR
SCHEMBL20177890 0.53 VCP (0.53) VCPHSP90AA1FBP1EGFR
SCHEMBL18590414 0.53 VCP (0.53) VCPHSP90AA1FBP1EGFR
SCHEMBL17048998 0.53 HSP90AA1 (0.61) VCPHSP90AA1FBP1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5599522-A CONTRAST ENHANCING AGENTS NYCOMED IMAGING AS (NO) 1997-02-04 — — US disclosed
EP-0515458-B1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI NYCOMED INNOVATION AB (SE) 1995-08-23 — — EP disclosed
EP-0515458-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI. HAFSLUND NYCOMED INNOVATION (SE) 1992-12-02 — — EP disclosed
WO-1991012024-A1 TRIARYLMETHYL RADICALS AND THE USE OF INERT CARBON FREE RADICALS IN MRI HAFSLUND NYCOMED INNOVATION AB (SE) 1991-08-22 — — WO disclosed